TL;DR: 3-(2,4-dichlorophenethyl)-10-methyl-6-propyl-3,4-dihydrochromeno[6,7-e][1,3]oxazin-8(2H)-one (CAS 859129-79-6) is a chemical compound with molecular formula C23H23Cl2NO3 and molecular weight 431.1055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(2,4-dichlorophenyl)ethyl]-10-methyl-6-propyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
Also Known As: 3-(2,4-dichlorophenethyl)-10-methyl-6-propyl-3,4-dihydrochromeno[6,7-e][1,3]oxazin-8(2H)-one, 3-[2-(2,4-dichlorophenyl)ethyl]-10-methyl-6-propyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one, 3-[2-(2,4-dichlorophenyl)ethyl]-10-methyl-6-propyl-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
| Molecular Formula | C23H23Cl2NO3 |
| Molecular Weight | 431.1055 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.1055 Da |
| Heavy Atoms | 29 |
| Complexity | 627.0 |
| SMILES | CCCC1=CC(=O)OC2=C1C=C3CN(COC3=C2C)CCC4=C(C=C(C=C4)Cl)Cl |
| InChIKey | QDBRYCSDFHILDY-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 3-(2,4-dichlorophenethyl)-10-methyl-6-propyl-3,4-dihydrochromeno[6,7-e][1,3]oxazin-8(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(2,4-dichlorophenethyl)-10-methyl-6-propyl-3,4-dihydrochromeno[6,7-e][1,3]oxazin-8(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-dichlorophenethyl)-10-methyl-6-propyl-3,4-dihydrochromeno[6,7-e][1,3]oxazin-8(2H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(2,4-dichlorophenethyl)-10-methyl-6-propyl-3,4-dihydrochromeno[6,7-e][1,3]oxazin-8(2H)-one is 859129-79-6.
The molecular formula of 3-(2,4-dichlorophenethyl)-10-methyl-6-propyl-3,4-dihydrochromeno[6,7-e][1,3]oxazin-8(2H)-one is C23H23Cl2NO3.
The molecular weight of 3-(2,4-dichlorophenethyl)-10-methyl-6-propyl-3,4-dihydrochromeno[6,7-e][1,3]oxazin-8(2H)-one is 431.1055 g/mol.
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